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Published in 2020 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2020.e00530
Abstract: Abstract Delafossite-structured CuAlO2 materials with and without vacancy defects were investigated comparatively using the first principle calculation method. The method based on the density functional theory, has been carried out to search the systems’ ground…
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Keywords:
withdrawn vacancies;
electronic mechanical;
effect structural;
vacancy ... See more keywords